# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c7c8c76b-6a19-4b0c-b270-4d66002bec76/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for CdSeO3 / Pnma (62) / materials id 9186](https://mdr.nims.go.jp/datasets/c76a8ae7-4380-40b5-827c-e4bd354eb077) ## Fulltext elements: [O, Se, Cd]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 78.96, 112.4]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [2.482337356500014e+00, -2.359267295589024e-02, -1.795636056014570e-01, 9.021932728017080e+01, 4.119917276233158e+01, -1.743519387693664e+03, -7.816122974001373e+02, 2.131643608311707e+02, 1.790678537253572e+03, 7.173538974994361e+00, -6.250626115558545e+01, -8.912043215914367e+05, 7.358429574730819e+03, 8.465187172059858e+01, -4.475613184395630e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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